Journal of Medicinal Chemistry· 2015Q1
pkCSM: Predicting Small-Molecule Pharmacokinetic and Toxicity Properties Using Graph-Based Signatures
- 5,474citations
- Q1SCImago
- 2015year
Short summary
A new computational tool, pkCSM, utilizes graph-based signatures to predict key drug pharmacokinetic and toxicity properties, performing comparably to or better than existing methods.
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Computational Theory and MathematicsComputer Science